Cluster Model for Electronic Structure and Bonding Mechanism of Interstitial Hydrogen in Iron Series Transition Metals
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概要
- 論文の詳細を見る
Electronic structure calculations have been carried out for small clusters ofiron series transition metals containing an interstitial hydrogen atom by thediscrete variational Xct method. The hydrogen-metal bonding level is formedbelow the bottom of the d band. The electron transfer from metal to hydrogenoccurs, though the additional electron by hydrogenation occupies the 3d holeto raise the Fermi level. The covalent bonding between H l.s' and metal 3d israther strong in all cases. Change in metal-metal bond by interstitia[ hydrogen isalso significant in the bonding mechanism.
- 社団法人日本物理学会の論文
- 1979-04-15
著者
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Imoto Shosuke
Department Of Nuclear Engineering Faculty Of Engineering
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Adachi Hirohiko
Department Of Nuclear Engineering Faculty Of Engineering
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Adachi Hirohiko
Department Of Chemistry Hyogo University Of Teacher Education
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